7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one

C18H21BrFN3O — CID 130274886

IUPAC7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CCC(CN)C2)c(F)c(Br)c2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C18H21BrFN3O/c1-10-17-13(4-5-14(24)23(17)12-2-3-12)15(19)16(20)18(10)22-7-6-11(8-21)9-22/h4-5,11-12H,2-3,6-9,21H2,1H3
InChIKeyIAIDEQBAQPEDLD-UHFFFAOYSA-N
MW394.29 g/mol
LogP3.33
Rot. Bonds3

About 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one

7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (PubChem CID 130274886) has the molecular formula C18H21BrFN3O and a molecular weight of 394.29 g/mol. Its IUPAC name is 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
PubChem CID130274886
Molecular FormulaC18H21BrFN3O
Molecular Weight394.29 g/mol
Exact Mass393.09
IUPAC Name7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
SMILESCc1c(N2CCC(CN)C2)c(F)c(Br)c2ccc(=O)n(C3CC3)c12
InChIInChI=1S/C18H21BrFN3O/c1-10-17-13(4-5-14(24)23(17)12-2-3-12)15(19)16(20)18(10)22-7-6-11(8-21)9-22/h4-5,11-12H,2-3,6-9,21H2,1H3
InChIKeyIAIDEQBAQPEDLD-UHFFFAOYSA-N
XLogP3.33
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-1-cyclopropyl-5,6-difluoro-7-[(3S)-3-hydroxypyrrolidin-1-yl]-8-methylquinolin-2-one
CID 130276525
[1-[1-cyclopropyl-4-[(dimethylamino)methyl]-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl carbamate
CID 130275905
[1-(1-cyclopropyl-6-fluoro-4-hydroxy-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 118864704
N-[[1-[4-[(2-aminoethylamino)methyl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl]pyrrolidin-3-yl]methyl]-2,2,2-trifluoroacetamide
CID 130292787
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43126275
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
acetonitrile;3-amino-1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-6-fluoro-8-methylquinazoline-2,4-dione
CID 143050424
1-cyclopropyl-5,6-difluoro-8-methyl-7-[(3S)-3-methylpyrrolidin-1-yl]-2-oxoquinoline-4-carbaldehyde
CID 162254628
7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130293279
7-[3-(aminomethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 59074242
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-cyclopropyl-8-fluoro-6-methoxy-[1,3]oxazolo[4,5-c]quinolin-4-one
CID 118446693
7-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-5,8-dimethylquinazoline-2,4-dione
CID 59074304

Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The IUPAC name of 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one (CID 130274886) is 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one.
What is the SMILES notation for 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The canonical SMILES for 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is Cc1c(N2CCC(CN)C2)c(F)c(Br)c2ccc(=O)n(C3CC3)c12.
What is the InChIKey of 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
The InChIKey is IAIDEQBAQPEDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrFN3O/c1-10-17-13(4-5-14(24)23(17)12-2-3-12)15(19)16(20)18(10)22-7-6-11(8-21)9-22/h4-5,11-12H,2-3,6-9,21H2,1H3.
What are the key properties of 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one?
7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one has a molecular weight of 394.29 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)pyrrolidin-1-yl]-5-bromo-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one is sourced from PubChem (CID 130274886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).